USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HE2:sc= 0.217 K(o=0.45,f=-1.5) USER MOD Set 1.2: A 405 THR OG1 : rot -86:sc= 0.231 USER MOD Set 2.1: A 377 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 380 SER OG : rot -40:sc= -0.997! USER MOD Single : A 382 ASN :FLIP amide:sc= -4.73! C(o=-10!,f=-4.7!) USER MOD Single : A 383 LYS NZ :NH3+ -165:sc= -0.0398 (180deg=-0.283) USER MOD Single : A 384 LYS NZ :NH3+ -147:sc= 0.1 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0.302 K(o=0.3,f=-4!) USER MOD Single : A 390 LYS NZ :NH3+ 166:sc= 0.752 (180deg=0.544) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 ASN : amide:sc= 0.382 K(o=0.38,f=-3.3!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.598 F(o=-4.5!,f=-0.6) USER MOD Single : A 402 LYS NZ :NH3+ -165:sc= -0.0503 (180deg=-0.32) USER MOD Single : A 403 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.168 5.681 -2.745 1.00 0.00 N ATOM 340 CA GLU A 376 -3.669 5.664 -4.110 1.00 0.00 C ATOM 341 C GLU A 376 -4.773 6.699 -4.290 1.00 0.00 C ATOM 342 O GLU A 376 -4.735 7.769 -3.682 1.00 0.00 O ATOM 343 CB GLU A 376 -4.174 4.262 -4.457 1.00 0.00 C ATOM 344 CG GLU A 376 -3.121 3.181 -4.287 1.00 0.00 C ATOM 345 CD GLU A 376 -3.589 1.834 -4.797 1.00 0.00 C ATOM 346 OE1 GLU A 376 -3.894 1.729 -6.005 1.00 0.00 O ATOM 347 OE2 GLU A 376 -3.653 0.885 -3.993 1.00 0.00 O ATOM 0 HA GLU A 376 -2.857 5.922 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.031 4.026 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.527 4.256 -5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.215 3.473 -4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -2.858 3.096 -3.233 1.00 0.00 H new ATOM 354 N THR A 377 -5.746 6.386 -5.129 1.00 0.00 N ATOM 355 CA THR A 377 -6.845 7.297 -5.390 1.00 0.00 C ATOM 356 C THR A 377 -8.159 6.545 -5.501 1.00 0.00 C ATOM 357 O THR A 377 -8.178 5.355 -5.816 1.00 0.00 O ATOM 358 CB THR A 377 -6.600 8.104 -6.676 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.564 7.226 -7.808 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.287 8.864 -6.575 1.00 0.00 C ATOM 0 H THR A 377 -5.796 5.506 -5.642 1.00 0.00 H new ATOM 0 HA THR A 377 -6.904 7.987 -4.549 1.00 0.00 H new ATOM 0 HB THR A 377 -7.415 8.817 -6.802 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.409 7.749 -8.623 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.124 9.432 -7.491 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.326 9.547 -5.727 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.468 8.158 -6.435 1.00 0.00 H new ATOM 368 N GLU A 378 -9.253 7.242 -5.217 1.00 0.00 N ATOM 369 CA GLU A 378 -10.577 6.641 -5.266 1.00 0.00 C ATOM 370 C GLU A 378 -10.743 5.806 -6.525 1.00 0.00 C ATOM 371 O GLU A 378 -11.364 4.745 -6.508 1.00 0.00 O ATOM 372 CB GLU A 378 -11.650 7.727 -5.216 1.00 0.00 C ATOM 373 CG GLU A 378 -13.064 7.179 -5.117 1.00 0.00 C ATOM 374 CD GLU A 378 -14.117 8.269 -5.102 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.741 9.461 -5.132 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.319 7.932 -5.055 1.00 0.00 O ATOM 0 H GLU A 378 -9.247 8.226 -4.950 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.689 5.988 -4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.460 8.375 -4.361 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.571 8.346 -6.109 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.250 6.512 -5.959 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.154 6.581 -4.210 1.00 0.00 H new ATOM 383 N GLY A 379 -10.182 6.302 -7.619 1.00 0.00 N ATOM 384 CA GLY A 379 -10.274 5.606 -8.885 1.00 0.00 C ATOM 385 C GLY A 379 -9.609 4.246 -8.879 1.00 0.00 C ATOM 386 O GLY A 379 -10.146 3.292 -9.440 1.00 0.00 O ATOM 0 H GLY A 379 -9.662 7.179 -7.651 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.325 5.486 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.819 6.220 -9.662 1.00 0.00 H new ATOM 390 N SER A 380 -8.439 4.148 -8.259 1.00 0.00 N ATOM 391 CA SER A 380 -7.722 2.878 -8.214 1.00 0.00 C ATOM 392 C SER A 380 -8.427 1.875 -7.303 1.00 0.00 C ATOM 393 O SER A 380 -8.644 0.726 -7.681 1.00 0.00 O ATOM 394 CB SER A 380 -6.287 3.094 -7.737 1.00 0.00 C ATOM 395 OG SER A 380 -6.264 3.648 -6.435 1.00 0.00 O ATOM 0 H SER A 380 -7.971 4.921 -7.786 1.00 0.00 H new ATOM 0 HA SER A 380 -7.706 2.469 -9.224 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.751 2.145 -7.742 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.766 3.757 -8.428 1.00 0.00 H new ATOM 0 HG SER A 380 -6.971 4.322 -6.354 1.00 0.00 H new ATOM 401 N CYS A 381 -8.764 2.324 -6.099 1.00 0.00 N ATOM 402 CA CYS A 381 -9.427 1.480 -5.106 1.00 0.00 C ATOM 403 C CYS A 381 -10.705 0.835 -5.637 1.00 0.00 C ATOM 404 O CYS A 381 -10.913 -0.367 -5.474 1.00 0.00 O ATOM 405 CB CYS A 381 -9.752 2.305 -3.866 1.00 0.00 C ATOM 406 SG CYS A 381 -8.287 2.978 -3.021 1.00 0.00 S ATOM 0 H CYS A 381 -8.587 3.278 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.736 0.674 -4.859 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.405 3.130 -4.152 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.310 1.684 -3.165 1.00 0.00 H new ATOM 411 N ASN A 382 -11.566 1.637 -6.252 1.00 0.00 N ATOM 412 CA ASN A 382 -12.831 1.134 -6.782 1.00 0.00 C ATOM 413 C ASN A 382 -12.608 -0.050 -7.714 1.00 0.00 C ATOM 414 O ASN A 382 -13.444 -0.949 -7.807 1.00 0.00 O ATOM 415 CB ASN A 382 -13.581 2.240 -7.531 1.00 0.00 C ATOM 416 CG ASN A 382 -13.867 3.455 -6.669 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.418 3.426 -5.420 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.487 4.417 -7.125 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.414 2.635 -6.397 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.431 0.802 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.994 2.546 -8.397 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.522 1.841 -7.909 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.816 4.401 -8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.672 5.230 -6.537 1.00 0.00 H new ATOM 425 N LYS A 383 -11.485 -0.028 -8.416 1.00 0.00 N ATOM 426 CA LYS A 383 -11.150 -1.081 -9.364 1.00 0.00 C ATOM 427 C LYS A 383 -10.551 -2.312 -8.681 1.00 0.00 C ATOM 428 O LYS A 383 -10.692 -3.428 -9.183 1.00 0.00 O ATOM 429 CB LYS A 383 -10.177 -0.538 -10.412 1.00 0.00 C ATOM 430 CG LYS A 383 -10.661 0.741 -11.082 1.00 0.00 C ATOM 431 CD LYS A 383 -11.990 0.540 -11.798 1.00 0.00 C ATOM 432 CE LYS A 383 -11.859 -0.427 -12.966 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.922 0.082 -14.005 1.00 0.00 N ATOM 0 H LYS A 383 -10.786 0.712 -8.346 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.076 -1.399 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.213 -0.349 -9.939 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -10.014 -1.300 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.768 1.525 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.912 1.082 -11.796 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.730 0.161 -11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.357 1.500 -12.160 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.507 -1.392 -12.601 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -12.840 -0.593 -13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -11.048 -0.462 -14.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -11.120 1.086 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -9.943 -0.022 -13.671 1.00 0.00 H new ATOM 447 N LYS A 384 -9.861 -2.113 -7.559 1.00 0.00 N ATOM 448 CA LYS A 384 -9.229 -3.215 -6.857 1.00 0.00 C ATOM 449 C LYS A 384 -10.237 -4.201 -6.307 1.00 0.00 C ATOM 450 O LYS A 384 -11.361 -3.848 -5.948 1.00 0.00 O ATOM 451 CB LYS A 384 -8.355 -2.691 -5.732 1.00 0.00 C ATOM 452 CG LYS A 384 -7.486 -1.537 -6.171 1.00 0.00 C ATOM 453 CD LYS A 384 -6.522 -1.898 -7.281 1.00 0.00 C ATOM 454 CE LYS A 384 -5.920 -3.246 -7.037 1.00 0.00 C ATOM 455 NZ LYS A 384 -4.964 -3.651 -8.104 1.00 0.00 N ATOM 0 H LYS A 384 -9.729 -1.201 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.614 -3.745 -7.584 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.987 -2.372 -4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.723 -3.498 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.124 -0.719 -6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -6.921 -1.171 -5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.043 -1.894 -8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.734 -1.148 -7.344 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.405 -3.241 -6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -6.716 -3.987 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -5.003 -4.682 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.220 -3.181 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -4.000 -3.373 -7.830 1.00 0.00 H new ATOM 469 N ASP A 385 -9.798 -5.438 -6.238 1.00 0.00 N ATOM 470 CA ASP A 385 -10.616 -6.529 -5.718 1.00 0.00 C ATOM 471 C ASP A 385 -10.609 -6.511 -4.196 1.00 0.00 C ATOM 472 O ASP A 385 -9.900 -5.715 -3.588 1.00 0.00 O ATOM 473 CB ASP A 385 -10.105 -7.878 -6.227 1.00 0.00 C ATOM 474 CG ASP A 385 -10.135 -7.982 -7.740 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.563 -7.007 -8.395 1.00 0.00 O ATOM 476 OD2 ASP A 385 -9.731 -9.038 -8.270 1.00 0.00 O ATOM 0 H ASP A 385 -8.866 -5.723 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.638 -6.390 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.084 -8.031 -5.877 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -10.712 -8.676 -5.800 1.00 0.00 H new ATOM 481 N GLN A 386 -11.394 -7.393 -3.584 1.00 0.00 N ATOM 482 CA GLN A 386 -11.467 -7.468 -2.126 1.00 0.00 C ATOM 483 C GLN A 386 -10.072 -7.519 -1.515 1.00 0.00 C ATOM 484 O GLN A 386 -9.703 -6.666 -0.708 1.00 0.00 O ATOM 485 CB GLN A 386 -12.267 -8.701 -1.698 1.00 0.00 C ATOM 486 CG GLN A 386 -12.326 -8.899 -0.192 1.00 0.00 C ATOM 487 CD GLN A 386 -13.114 -10.134 0.206 1.00 0.00 C ATOM 488 OE1 GLN A 386 -14.293 -10.266 -0.125 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.465 -11.044 0.923 1.00 0.00 N ATOM 0 H GLN A 386 -11.987 -8.064 -4.072 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.971 -6.571 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -13.283 -8.616 -2.084 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.825 -9.586 -2.155 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -11.312 -8.978 0.200 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -12.778 -8.021 0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -11.488 -10.893 1.175 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -12.943 -11.894 1.222 1.00 0.00 H new ATOM 498 N ASN A 387 -9.299 -8.519 -1.916 1.00 0.00 N ATOM 499 CA ASN A 387 -7.945 -8.686 -1.428 1.00 0.00 C ATOM 500 C ASN A 387 -7.056 -7.535 -1.888 1.00 0.00 C ATOM 501 O ASN A 387 -6.103 -7.161 -1.204 1.00 0.00 O ATOM 502 CB ASN A 387 -7.384 -10.016 -1.927 1.00 0.00 C ATOM 503 CG ASN A 387 -7.445 -10.141 -3.437 1.00 0.00 C ATOM 504 OD1 ASN A 387 -8.520 -10.080 -4.034 1.00 0.00 O ATOM 505 ND2 ASN A 387 -6.289 -10.321 -4.062 1.00 0.00 N ATOM 0 H ASN A 387 -9.594 -9.231 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.963 -8.685 -0.338 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.350 -10.117 -1.599 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.943 -10.835 -1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -6.267 -10.415 -5.077 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.422 -10.365 -3.527 1.00 0.00 H new ATOM 512 N GLU A 388 -7.375 -6.986 -3.056 1.00 0.00 N ATOM 513 CA GLU A 388 -6.608 -5.884 -3.623 1.00 0.00 C ATOM 514 C GLU A 388 -6.934 -4.557 -2.947 1.00 0.00 C ATOM 515 O GLU A 388 -6.149 -3.613 -3.027 1.00 0.00 O ATOM 516 CB GLU A 388 -6.852 -5.785 -5.127 1.00 0.00 C ATOM 517 CG GLU A 388 -6.334 -6.982 -5.907 1.00 0.00 C ATOM 518 CD GLU A 388 -6.477 -6.809 -7.406 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.618 -6.622 -7.877 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.447 -6.863 -8.110 1.00 0.00 O ATOM 0 H GLU A 388 -8.163 -7.288 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.553 -6.094 -3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.922 -5.680 -5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.375 -4.881 -5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.284 -7.143 -5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.875 -7.876 -5.595 1.00 0.00 H new ATOM 527 N CYS A 389 -8.086 -4.483 -2.279 1.00 0.00 N ATOM 528 CA CYS A 389 -8.475 -3.257 -1.596 1.00 0.00 C ATOM 529 C CYS A 389 -7.367 -2.864 -0.628 1.00 0.00 C ATOM 530 O CYS A 389 -7.223 -3.449 0.446 1.00 0.00 O ATOM 531 CB CYS A 389 -9.809 -3.447 -0.864 1.00 0.00 C ATOM 532 SG CYS A 389 -10.569 -1.898 -0.271 1.00 0.00 S ATOM 0 H CYS A 389 -8.755 -5.248 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.616 -2.458 -2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -10.509 -3.948 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -9.652 -4.110 -0.013 1.00 0.00 H new ATOM 537 N LYS A 390 -6.555 -1.901 -1.049 1.00 0.00 N ATOM 538 CA LYS A 390 -5.409 -1.453 -0.263 1.00 0.00 C ATOM 539 C LYS A 390 -5.812 -0.684 0.992 1.00 0.00 C ATOM 540 O LYS A 390 -6.964 -0.281 1.152 1.00 0.00 O ATOM 541 CB LYS A 390 -4.479 -0.623 -1.139 1.00 0.00 C ATOM 542 CG LYS A 390 -3.776 -1.438 -2.225 1.00 0.00 C ATOM 543 CD LYS A 390 -2.583 -2.224 -1.686 1.00 0.00 C ATOM 544 CE LYS A 390 -3.013 -3.453 -0.899 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.797 -4.403 -1.735 1.00 0.00 N ATOM 0 H LYS A 390 -6.670 -1.412 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.883 -2.342 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.052 0.176 -1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.727 -0.147 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.489 -2.129 -2.675 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.438 -0.768 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.947 -2.531 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -1.983 -1.577 -1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -2.131 -3.959 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -3.612 -3.144 -0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -3.867 -5.319 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.751 -4.021 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.321 -4.534 -2.650 1.00 0.00 H new ATOM 559 N SER A 391 -4.843 -0.514 1.894 1.00 0.00 N ATOM 560 CA SER A 391 -5.061 0.170 3.159 1.00 0.00 C ATOM 561 C SER A 391 -5.699 1.546 2.966 1.00 0.00 C ATOM 562 O SER A 391 -6.775 1.797 3.508 1.00 0.00 O ATOM 563 CB SER A 391 -3.740 0.289 3.917 1.00 0.00 C ATOM 564 OG SER A 391 -3.203 -0.989 4.210 1.00 0.00 O ATOM 0 H SER A 391 -3.888 -0.848 1.763 1.00 0.00 H new ATOM 0 HA SER A 391 -5.761 -0.425 3.745 1.00 0.00 H new ATOM 0 HB2 SER A 391 -3.026 0.859 3.323 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.897 0.842 4.843 1.00 0.00 H new ATOM 0 HG SER A 391 -2.357 -0.885 4.694 1.00 0.00 H new ATOM 570 N PRO A 392 -5.074 2.459 2.186 1.00 0.00 N ATOM 571 CA PRO A 392 -5.633 3.787 1.946 1.00 0.00 C ATOM 572 C PRO A 392 -7.094 3.693 1.546 1.00 0.00 C ATOM 573 O PRO A 392 -7.903 4.561 1.875 1.00 0.00 O ATOM 574 CB PRO A 392 -4.785 4.337 0.787 1.00 0.00 C ATOM 575 CG PRO A 392 -3.976 3.189 0.293 1.00 0.00 C ATOM 576 CD PRO A 392 -3.803 2.293 1.472 1.00 0.00 C ATOM 0 HA PRO A 392 -5.603 4.423 2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.418 4.738 -0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.143 5.151 1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.483 2.673 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.012 3.523 -0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.637 1.258 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.952 2.589 2.085 1.00 0.00 H new ATOM 584 N CYS A 393 -7.421 2.617 0.843 1.00 0.00 N ATOM 585 CA CYS A 393 -8.780 2.372 0.398 1.00 0.00 C ATOM 586 C CYS A 393 -9.674 2.021 1.578 1.00 0.00 C ATOM 587 O CYS A 393 -9.219 1.456 2.574 1.00 0.00 O ATOM 588 CB CYS A 393 -8.811 1.233 -0.614 1.00 0.00 C ATOM 589 SG CYS A 393 -7.596 1.399 -1.960 1.00 0.00 S ATOM 0 H CYS A 393 -6.754 1.896 0.568 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.150 3.283 -0.073 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.632 0.293 -0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.810 1.173 -1.046 1.00 0.00 H new ATOM 594 N LYS A 394 -10.949 2.347 1.451 1.00 0.00 N ATOM 595 CA LYS A 394 -11.922 2.060 2.494 1.00 0.00 C ATOM 596 C LYS A 394 -12.776 0.869 2.092 1.00 0.00 C ATOM 597 O LYS A 394 -13.549 0.942 1.136 1.00 0.00 O ATOM 598 CB LYS A 394 -12.810 3.281 2.744 1.00 0.00 C ATOM 599 CG LYS A 394 -13.776 3.111 3.908 1.00 0.00 C ATOM 600 CD LYS A 394 -13.046 3.030 5.241 1.00 0.00 C ATOM 601 CE LYS A 394 -12.301 4.321 5.549 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.584 4.253 6.852 1.00 0.00 N ATOM 0 H LYS A 394 -11.337 2.813 0.631 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.389 1.822 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.176 4.147 2.934 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.380 3.495 1.840 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.474 3.948 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.366 2.207 3.761 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.762 2.823 6.037 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.342 2.198 5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.586 4.526 4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.007 5.152 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.090 5.152 7.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.268 4.083 7.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.892 3.477 6.827 1.00 0.00 H new ATOM 616 N TRP A 395 -12.629 -0.230 2.819 1.00 0.00 N ATOM 617 CA TRP A 395 -13.387 -1.432 2.520 1.00 0.00 C ATOM 618 C TRP A 395 -14.834 -1.293 2.984 1.00 0.00 C ATOM 619 O TRP A 395 -15.101 -0.766 4.064 1.00 0.00 O ATOM 620 CB TRP A 395 -12.742 -2.656 3.170 1.00 0.00 C ATOM 621 CG TRP A 395 -13.376 -3.946 2.750 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.865 -4.923 3.568 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.587 -4.403 1.407 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.370 -5.957 2.818 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.210 -5.662 1.489 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.311 -3.869 0.142 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.562 -6.394 0.357 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.659 -4.599 -0.979 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.279 -5.848 -0.864 1.00 0.00 C ATOM 0 H TRP A 395 -11.996 -0.312 3.614 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.382 -1.569 1.439 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.682 -2.679 2.916 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.808 -2.562 4.254 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.856 -4.888 4.647 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.795 -6.806 3.190 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.835 -2.905 0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.041 -7.358 0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.449 -4.199 -1.960 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.540 -6.393 -1.759 1.00 0.00 H new ATOM 640 N HIS A 396 -15.761 -1.768 2.158 1.00 0.00 N ATOM 641 CA HIS A 396 -17.180 -1.698 2.480 1.00 0.00 C ATOM 642 C HIS A 396 -17.800 -3.090 2.521 1.00 0.00 C ATOM 643 O HIS A 396 -17.892 -3.773 1.498 1.00 0.00 O ATOM 644 CB HIS A 396 -17.913 -0.830 1.455 1.00 0.00 C ATOM 645 CG HIS A 396 -17.483 0.604 1.473 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.599 1.409 2.587 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.932 1.377 0.507 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.139 2.615 2.306 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.729 2.622 1.051 1.00 0.00 N ATOM 0 H HIS A 396 -15.554 -2.206 1.260 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.281 -1.248 3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.746 -1.239 0.458 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.985 -0.882 1.646 1.00 0.00 H new ATOM 0 HD1 HIS A 396 -17.980 1.118 3.487 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.696 1.072 -0.502 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.104 3.453 2.987 1.00 0.00 H new ATOM 658 N ASN A 397 -18.228 -3.497 3.714 1.00 0.00 N ATOM 659 CA ASN A 397 -18.847 -4.802 3.913 1.00 0.00 C ATOM 660 C ASN A 397 -20.362 -4.715 3.755 1.00 0.00 C ATOM 661 O ASN A 397 -20.930 -3.623 3.745 1.00 0.00 O ATOM 662 CB ASN A 397 -18.495 -5.355 5.296 1.00 0.00 C ATOM 663 CG ASN A 397 -18.996 -4.466 6.418 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.610 -3.303 6.524 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.861 -5.014 7.263 1.00 0.00 N ATOM 0 H ASN A 397 -18.156 -2.936 4.563 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.459 -5.479 3.152 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.924 -6.351 5.406 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.413 -5.463 5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.233 -4.466 8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.153 -5.983 7.136 1.00 0.00 H new ATOM 672 N ASP A 398 -21.005 -5.872 3.629 1.00 0.00 N ATOM 673 CA ASP A 398 -22.454 -5.937 3.467 1.00 0.00 C ATOM 674 C ASP A 398 -22.883 -5.209 2.196 1.00 0.00 C ATOM 675 O ASP A 398 -24.042 -4.823 2.043 1.00 0.00 O ATOM 676 CB ASP A 398 -23.154 -5.336 4.691 1.00 0.00 C ATOM 677 CG ASP A 398 -24.663 -5.479 4.630 1.00 0.00 C ATOM 678 OD1 ASP A 398 -25.148 -6.626 4.552 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.359 -4.441 4.663 1.00 0.00 O ATOM 0 H ASP A 398 -20.543 -6.781 3.636 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.746 -6.983 3.379 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.783 -5.823 5.593 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.896 -4.280 4.770 1.00 0.00 H new ATOM 684 N ALA A 399 -21.937 -5.039 1.279 1.00 0.00 N ATOM 685 CA ALA A 399 -22.207 -4.376 0.012 1.00 0.00 C ATOM 686 C ALA A 399 -22.921 -5.325 -0.944 1.00 0.00 C ATOM 687 O ALA A 399 -22.792 -6.544 -0.827 1.00 0.00 O ATOM 688 CB ALA A 399 -20.913 -3.863 -0.608 1.00 0.00 C ATOM 0 H ALA A 399 -20.973 -5.353 1.392 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.859 -3.523 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -21.134 -3.370 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.442 -3.152 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -20.237 -4.700 -0.784 1.00 0.00 H new ATOM 694 N GLU A 400 -23.670 -4.764 -1.889 1.00 0.00 N ATOM 695 CA GLU A 400 -24.397 -5.565 -2.867 1.00 0.00 C ATOM 696 C GLU A 400 -23.462 -6.591 -3.494 1.00 0.00 C ATOM 697 O GLU A 400 -23.867 -7.704 -3.825 1.00 0.00 O ATOM 698 CB GLU A 400 -25.004 -4.656 -3.944 1.00 0.00 C ATOM 699 CG GLU A 400 -25.914 -5.374 -4.934 1.00 0.00 C ATOM 700 CD GLU A 400 -25.157 -6.272 -5.894 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.278 -5.761 -6.617 1.00 0.00 O ATOM 702 OE2 GLU A 400 -25.449 -7.487 -5.925 1.00 0.00 O ATOM 0 H GLU A 400 -23.789 -3.757 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.208 -6.094 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -25.572 -3.864 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.195 -4.176 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.641 -5.971 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -26.476 -4.634 -5.504 1.00 0.00 H new ATOM 709 N ASN A 401 -22.200 -6.202 -3.641 1.00 0.00 N ATOM 710 CA ASN A 401 -21.189 -7.075 -4.216 1.00 0.00 C ATOM 711 C ASN A 401 -19.797 -6.630 -3.782 1.00 0.00 C ATOM 712 O ASN A 401 -18.853 -6.644 -4.574 1.00 0.00 O ATOM 713 CB ASN A 401 -21.302 -7.074 -5.742 1.00 0.00 C ATOM 714 CG ASN A 401 -21.090 -5.702 -6.365 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.877 -4.682 -5.536 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -21.126 -5.557 -7.587 1.00 0.00 N flip ATOM 0 H ASN A 401 -21.854 -5.282 -3.368 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.353 -8.090 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -20.569 -7.768 -6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.287 -7.445 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -21.292 -6.362 -8.191 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -20.990 -4.632 -7.995 1.00 0.00 H new ATOM 723 N LYS A 402 -19.690 -6.232 -2.514 1.00 0.00 N ATOM 724 CA LYS A 402 -18.428 -5.769 -1.941 1.00 0.00 C ATOM 725 C LYS A 402 -17.974 -4.476 -2.612 1.00 0.00 C ATOM 726 O LYS A 402 -17.957 -4.375 -3.839 1.00 0.00 O ATOM 727 CB LYS A 402 -17.350 -6.849 -2.082 1.00 0.00 C ATOM 728 CG LYS A 402 -17.784 -8.214 -1.565 1.00 0.00 C ATOM 729 CD LYS A 402 -18.206 -8.153 -0.104 1.00 0.00 C ATOM 730 CE LYS A 402 -18.699 -9.504 0.389 1.00 0.00 C ATOM 731 NZ LYS A 402 -19.884 -9.978 -0.377 1.00 0.00 N ATOM 0 H LYS A 402 -20.472 -6.222 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.586 -5.569 -0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.073 -6.939 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.457 -6.532 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.613 -8.585 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.964 -8.924 -1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.364 -7.827 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.994 -7.410 0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -17.896 -10.236 0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.955 -9.433 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -20.341 -10.758 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -20.560 -9.196 -0.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -19.581 -10.312 -1.314 1.00 0.00 H new ATOM 745 N LYS A 403 -17.619 -3.478 -1.804 1.00 0.00 N ATOM 746 CA LYS A 403 -17.187 -2.194 -2.342 1.00 0.00 C ATOM 747 C LYS A 403 -15.874 -1.721 -1.722 1.00 0.00 C ATOM 748 O LYS A 403 -15.618 -1.939 -0.541 1.00 0.00 O ATOM 749 CB LYS A 403 -18.265 -1.133 -2.120 1.00 0.00 C ATOM 750 CG LYS A 403 -19.571 -1.429 -2.838 1.00 0.00 C ATOM 751 CD LYS A 403 -20.547 -0.268 -2.716 1.00 0.00 C ATOM 752 CE LYS A 403 -21.839 -0.544 -3.467 1.00 0.00 C ATOM 753 NZ LYS A 403 -22.790 0.598 -3.377 1.00 0.00 N ATOM 0 H LYS A 403 -17.622 -3.534 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 403 -17.023 -2.337 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.460 -1.044 -1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.887 -0.168 -2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.372 -1.630 -3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -20.021 -2.330 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -20.768 -0.086 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.085 0.639 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -21.614 -0.747 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -22.309 -1.440 -3.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -23.658 0.369 -3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -23.026 0.776 -2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -22.352 1.448 -3.786 1.00 0.00 H new ATOM 767 N CYS A 404 -15.060 -1.052 -2.533 1.00 0.00 N ATOM 768 CA CYS A 404 -13.780 -0.514 -2.083 1.00 0.00 C ATOM 769 C CYS A 404 -13.568 0.868 -2.693 1.00 0.00 C ATOM 770 O CYS A 404 -13.568 1.018 -3.914 1.00 0.00 O ATOM 771 CB CYS A 404 -12.629 -1.446 -2.486 1.00 0.00 C ATOM 772 SG CYS A 404 -10.975 -0.862 -1.979 1.00 0.00 S ATOM 0 H CYS A 404 -15.267 -0.868 -3.515 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.793 -0.436 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.804 -2.429 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.641 -1.571 -3.569 1.00 0.00 H new ATOM 777 N THR A 405 -13.398 1.875 -1.843 1.00 0.00 N ATOM 778 CA THR A 405 -13.198 3.241 -2.316 1.00 0.00 C ATOM 779 C THR A 405 -12.188 3.981 -1.449 1.00 0.00 C ATOM 780 O THR A 405 -12.269 3.953 -0.224 1.00 0.00 O ATOM 781 CB THR A 405 -14.518 4.034 -2.328 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.042 4.131 -0.998 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.545 3.366 -3.233 1.00 0.00 C ATOM 0 H THR A 405 -13.395 1.773 -0.828 1.00 0.00 H new ATOM 0 HA THR A 405 -12.817 3.166 -3.335 1.00 0.00 H new ATOM 0 HB THR A 405 -14.312 5.033 -2.713 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.582 3.338 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.469 3.945 -3.225 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.157 3.317 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.746 2.357 -2.873 1.00 0.00 H new ATOM 791 N LEU A 406 -11.238 4.641 -2.100 1.00 0.00 N ATOM 792 CA LEU A 406 -10.197 5.388 -1.408 1.00 0.00 C ATOM 793 C LEU A 406 -10.797 6.385 -0.427 1.00 0.00 C ATOM 794 O LEU A 406 -11.816 7.016 -0.704 1.00 0.00 O ATOM 795 CB LEU A 406 -9.317 6.105 -2.432 1.00 0.00 C ATOM 796 CG LEU A 406 -8.004 6.686 -1.908 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.249 7.936 -1.082 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.241 5.640 -1.110 1.00 0.00 C ATOM 0 H LEU A 406 -11.168 4.673 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.587 4.689 -0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.085 5.404 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -9.897 6.915 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 406 -7.393 6.974 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.297 8.327 -0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.741 8.689 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -8.885 7.691 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.309 6.070 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.847 5.314 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.020 4.785 -1.749 1.00 0.00 H new ATOM 810 N ASP A 407 -10.143 6.520 0.719 1.00 0.00 N ATOM 811 CA ASP A 407 -10.589 7.441 1.758 1.00 0.00 C ATOM 812 C ASP A 407 -9.678 8.661 1.801 1.00 0.00 C ATOM 813 O ASP A 407 -8.463 8.530 1.928 1.00 0.00 O ATOM 814 CB ASP A 407 -10.604 6.742 3.119 1.00 0.00 C ATOM 815 CG ASP A 407 -11.190 7.613 4.213 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.354 8.043 4.070 1.00 0.00 O ATOM 817 OD2 ASP A 407 -10.490 7.858 5.218 1.00 0.00 O ATOM 0 H ASP A 407 -9.297 6.001 0.954 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.603 7.767 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.182 5.821 3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -9.587 6.459 3.390 1.00 0.00 H new ATOM 822 N LYS A 408 -10.270 9.842 1.683 1.00 0.00 N ATOM 823 CA LYS A 408 -9.505 11.083 1.692 1.00 0.00 C ATOM 824 C LYS A 408 -8.828 11.320 3.039 1.00 0.00 C ATOM 825 O LYS A 408 -7.654 11.679 3.094 1.00 0.00 O ATOM 826 CB LYS A 408 -10.417 12.263 1.356 1.00 0.00 C ATOM 827 CG LYS A 408 -11.078 12.150 -0.009 1.00 0.00 C ATOM 828 CD LYS A 408 -10.051 12.141 -1.129 1.00 0.00 C ATOM 829 CE LYS A 408 -10.714 12.011 -2.490 1.00 0.00 C ATOM 830 NZ LYS A 408 -9.718 12.010 -3.596 1.00 0.00 N ATOM 0 H LYS A 408 -11.277 9.967 1.580 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.725 10.996 0.936 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.190 12.343 2.120 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.835 13.184 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.672 11.237 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -11.765 12.984 -0.151 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -9.465 13.060 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.356 11.314 -0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.295 11.089 -2.524 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -11.414 12.834 -2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -10.211 11.920 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -9.181 12.900 -3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -9.065 11.209 -3.475 1.00 0.00 H new ATOM 844 N GLU A 409 -9.580 11.134 4.119 1.00 0.00 N ATOM 845 CA GLU A 409 -9.063 11.346 5.467 1.00 0.00 C ATOM 846 C GLU A 409 -7.881 10.428 5.782 1.00 0.00 C ATOM 847 O GLU A 409 -6.881 10.864 6.354 1.00 0.00 O ATOM 848 CB GLU A 409 -10.179 11.128 6.490 1.00 0.00 C ATOM 849 CG GLU A 409 -9.741 11.357 7.925 1.00 0.00 C ATOM 850 CD GLU A 409 -10.864 11.141 8.920 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.882 11.858 8.830 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.723 10.257 9.790 1.00 0.00 O ATOM 0 H GLU A 409 -10.555 10.835 4.086 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.703 12.373 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.007 11.799 6.260 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.556 10.110 6.392 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.917 10.684 8.161 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.361 12.374 8.027 1.00 0.00 H new ATOM 859 N GLU A 410 -8.002 9.156 5.429 1.00 0.00 N ATOM 860 CA GLU A 410 -6.940 8.195 5.701 1.00 0.00 C ATOM 861 C GLU A 410 -5.755 8.396 4.764 1.00 0.00 C ATOM 862 O GLU A 410 -4.608 8.412 5.203 1.00 0.00 O ATOM 863 CB GLU A 410 -7.467 6.764 5.590 1.00 0.00 C ATOM 864 CG GLU A 410 -6.470 5.719 6.064 1.00 0.00 C ATOM 865 CD GLU A 410 -7.039 4.315 6.044 1.00 0.00 C ATOM 866 OE1 GLU A 410 -8.079 4.086 6.697 1.00 0.00 O ATOM 867 OE2 GLU A 410 -6.440 3.442 5.384 1.00 0.00 O ATOM 0 H GLU A 410 -8.818 8.767 4.957 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.595 8.364 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.382 6.675 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -7.731 6.561 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -5.583 5.756 5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.149 5.962 7.077 1.00 0.00 H new ATOM 874 N ALA A 411 -6.038 8.545 3.473 1.00 0.00 N ATOM 875 CA ALA A 411 -4.983 8.742 2.482 1.00 0.00 C ATOM 876 C ALA A 411 -4.104 9.936 2.831 1.00 0.00 C ATOM 877 O ALA A 411 -2.878 9.853 2.758 1.00 0.00 O ATOM 878 CB ALA A 411 -5.586 8.921 1.097 1.00 0.00 C ATOM 0 H ALA A 411 -6.983 8.533 3.090 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.354 7.852 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.788 9.067 0.369 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.161 8.033 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.242 9.791 1.096 1.00 0.00 H new ATOM 884 N LYS A 412 -4.731 11.044 3.211 1.00 0.00 N ATOM 885 CA LYS A 412 -3.990 12.247 3.569 1.00 0.00 C ATOM 886 C LYS A 412 -3.108 11.999 4.788 1.00 0.00 C ATOM 887 O LYS A 412 -1.946 12.396 4.809 1.00 0.00 O ATOM 888 CB LYS A 412 -4.949 13.409 3.837 1.00 0.00 C ATOM 889 CG LYS A 412 -5.932 13.140 4.964 1.00 0.00 C ATOM 890 CD LYS A 412 -6.862 14.319 5.206 1.00 0.00 C ATOM 891 CE LYS A 412 -7.680 14.658 3.969 1.00 0.00 C ATOM 892 NZ LYS A 412 -8.590 15.812 4.208 1.00 0.00 N ATOM 0 H LYS A 412 -5.745 11.134 3.279 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.348 12.511 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -4.369 14.300 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -5.505 13.627 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -6.523 12.256 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -5.382 12.919 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.533 14.088 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -6.276 15.189 5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.009 14.889 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -8.266 13.789 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -9.131 16.013 3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -9.247 15.582 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.029 16.648 4.468 1.00 0.00 H new